SAH-SOS1A

• Supplier: Creative Peptides
• Product #: R1895
• CAS #: 1652561-87-9
• MolecularFormula: C100H159N27O28
• MolecularWeight: 2187.53
• Sequence: RRFFGIXLTNXLKTEEGN (Modifications: Arg-1 = N-terminal Ac, X = (S)-2-(4-pentenyl)alanine, X-7 and X-11 stapled together with a double bond)
• Storage: Store at -20°C
• Explanation: SAH-SOS1A is a KRas/son of sevenless 1 (SOS1) interaction inhibitor. SAH-SOS1A binds within nucleotide binding pocket of KRas (Kd values ranges from 106 - 176 nM for wild type KRas and KRas mutants). SAH-SOS1A inhibits nucleotide binding to KRas in a concentration dependent manner.
• ChemicalName: (4S)-4-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S,5S,8S,11S,20S)-20-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-8-(2-amino-2-oxoethyl)-5-[(1R)-1-hydroxyethyl]-11,20-dimethyl-2-(2-methylpropyl)-3,6,9,21-tetraoxo-1,4,7,10-tetrazacyclohenicos-15-ene-11-carbonyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-5-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
• InChI: InChI=1S/C100H159N27O28/c1-12-55(6)78(123-75(134)52-111-82(140)68(47-59-29-19-17-20-30-59)118-88(146)69(48-60-31-21-18-22-32-60)119-84(142)63(35-28-44-109-98(106)107)114-83(141)61(112-58(9)130)34-27-43-108-97(104)105)93(151)127-100(11)41-25-16-14-13-15-24-40-99(10,126-90(148)70(49-72(102)131)120-92(150)80(57(8)129)125-89(147)67(46-54(4)5)122-96(100)155)95(154)121-66(45-53(2)3)87(145)115-62(33-23-26-42-101)86(144)124-79(56(7)128)91(149)117-65(37-39-77(137)138)85(143)116-64(36-38-76(135)136)81(139)110-51-74(133)113-71(94(152)153)50-73(103)132/h13-14,17-22,29-32,53-57,61-71,78-80,128-129H,12,15-16,23-28,33-52,101H2,1-11H3,(H2,102,131)(H2,103,132)(H,110,139)(H,111,140)(H,112,130)(H,113,133)(H,114,141)(H,115,145)(H,116,143)(H,117,149)(H,118,146)(H,119,142)(H,120,150)(H,121,154)(H,122,155)(H,123,134)(H,124,144)(H,125,147)(H,126,148)(H,127,151)(H,135,136)(H,137,138)(H,152,153)(H4,104,105,108)(H4,106,107,109)/t55-,56+,57+,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,78-,79-,80-,99-,100-/m0/s1
• InChIKey: IVWNCFWBZZQNEM-MTMGHKARSA-N
• CanonicalSMILES: CCC(C)C(C(=O)NC1(CCCC=CCCCC(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CC(C)C)C(C)O)CC(=O)N)(C)C(=O)NC(CC(C)C)C(=O)NC(CCCCN)C(=O)NC(C(C)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CC(=O)N)C(=O)O)C)NC(=O)CNC(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C
• Solubility: Soluble to 1 mg/ml in water